SCHEMBL4373941

SCHEMBL4373941

CC(C)(C)C(NC(=O)O)C(N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
LMNA P02545 1/20 0.42
CTRB1 P17538 2/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
RIPK1 Q13546 1/20 0.39
CTSD P07339 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4377187 1.00 DPP4 (0.43) DPP4LMNACTRB1ATML3MBTL1
SCHEMBL4380602 0.85 PRCP (0.41) LMNAKMT2A
SCHEMBL4371626 0.85 ALDH1A1 (0.38) DPP4LMNAKMT2AKDM4EALDH1A1
SCHEMBL4584032 0.84 HDAC4 (0.43) DPP4LMNAKDM4EALDH1A1
SCHEMBL4371128 0.84 TRPM8 (0.41) ATMKMT2AALDH1A1
SCHEMBL4583470 0.83 NPSR1 (0.50) KMT2AMAPTALDH1A1
SCHEMBL4380601 0.81 SLC6A4 (0.47) LMNAATML3MBTL1KMT2AMAPT
SCHEMBL4584586 0.80 GAA (0.46) DPP4LMNAKMT2AALDH1A1
SCHEMBL4374417 0.80 ADRB2 (0.40) CTRB1L3MBTL1KMT2A
SCHEMBL4387389 0.77 CNR2 (0.46) LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
EP-2114388-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-11-11 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2008098105-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed